Search found 2 matches

by saikat
Tue Oct 21, 2008 5:26 pm
Forum: Bader
Topic: Bader scrip visualization
Replies: 3
Views: 17063

Re: Bader scrip visualization

I used bader -p chargefile option but that gives the charge density for individual atoms. what I am looking into is the charge density of the whole system and see if there any chnarge transfer among the parts of my system. For that I need to get the whole charge density. Could I explain my point now ...
by saikat
Mon Oct 20, 2008 2:18 pm
Forum: Bader
Topic: Bader scrip visualization
Replies: 3
Views: 17063

Bader scrip visualization

I have just started using the Bader script to view the charge density plot. The script is running well and output files are generated. But the ACF.dat, AVF.dat and the BCF.dat none of the files are opening in vaspview or VMD . It is objecting about the format style that data files are. I used the ...